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Ligand

NameCHEMBL202242
Molecular formulaC19H37O7PS
IUPAC name[(2S)-3-dihydroxyphosphinothioyloxy-2-octanoyloxypropyl] octanoate
Molecular weight440.532
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.0
SynonymsSCHEMBL14515935
BDBM50176399
octanoic acid (S)-2-octanoyloxy-3-thiophosphonooxy-propyl ester
Inchi KeyCUXSKJSPPDINEH-KRWDZBQOSA-N
Inchi IDInChI=1S/C19H37O7PS/c1-3-5-7-9-11-13-18(20)24-15-17(16-25-27(22,23)28)26-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,28)/t17-/m0/s1
PubChem CID16045222
ChEMBLCHEMBL202242
IUPHARN/A
BindingDB50176399
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
51246Lysophosphatidic acid receptor 2Q9HBW0LPAR2Homo sapiens (Human)351
51245Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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